Physicochemical Properties
| Molecular Formula | C27H32N2O2 |
| Molecular Weight | 416.56 |
| CAS # | 3041063-90-2 |
| Appearance | Typically exists as solid at room temperature |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| Targets | MRE11[1] |
| ln Vitro | Compound D34, also known as antitumor agent-96, was tested for 72 hours in CM-AS16 (IC50 = 2.9 ± 0.1 μM), CRMM2 (IC50 = 0.7 ± 0.0 μM), CM2005.1 (IC50 = 1.0 ± 0.1 μM), and CRMM1 (IC50 = 1.3 ± 0.3 μM) in CM cells. This compound exhibited unique cytotoxicity selectivity when compared to cutaneous melanoma, ocular melanoma, and normal cells (1). CRMM1 cells undergo programmed cell death in response to antitumor agent-96 (0.1–10 μM; 48 h) [1]. Mitigation of CRMM1 cells is inhibited by antitumor agent-96 (0.3–10 μM; 48 h). DNA damage accumulates more in CM cells when antitumor agent-96 (0.3-10 μM; 48 h) is applied, and the HR pathway MRN complex is downregulated[1]. |
| ln Vivo | Mouse studies have demonstrated the anticancer effects of antitumor agent-96 dihydrochloride (Compound D34 dihydrochloride; 10 and 20 mg/kg; ip; five times per week for 28 days) [1]. |
| Cell Assay |
Cell Proliferation Assay[1] Cell Types: CM-AS16, CRMM2, CM2005.1, CRMM1, HL7702 and PIG1 Tested Concentrations: Incubation Duration: 72 h Experimental Results: Inhibited proliferation with IC50s of 2.9 ± 0.1, 0.7 ± 0.0, 1.0 ± 0.1, 1.3 ± 0.3, 25.6 ± 0.8 and 32.9 ± 0.3 μM against CM-AS16, CRMM2, CM2005.1, CRMM1, HL7702 and PIG1, respectively. Apoptosis Analysis[1] Cell Types: CRMM1 cells Tested Concentrations: 0.1, 0.3, 1, 3 and 10 μM Incubation Duration: 48 h Experimental Results: Dramatically led to CRMM1 cells death over the concentrations of 0.3 μM. The apoptotic rates rose to 80% when incubated at 3 μM. Cell Migration Assay [1] Cell Types: CRMM1 cells Tested Concentrations: 0.3 μM Incubation Duration: 0, 24, 48 and 72 h Experimental Results: Inhibited migration rate from 70% to 45% at 72 h. Western Blot Analysis[1] Cell Types: CRMM1 and CRMM2 Tested Concentrations: 0.3, 1, 3 and 10 μM Incubation Duration: 48 h Experimental Results: Stimulated tumor suppressor p53. Induced significant accumulation of γ-H2AX. The three MRN subunits MRE11, RAD50, and NBS1, were Dramatically down-regulated in a dose-dependent manner. The expression of MRN downstream effectors, including BCRA1 and RAD51, were also inhibited in both CRMM1 and CRMM2 cells. |
| Animal Protocol |
Animal/Disease Models: NCG mice, CRMM1 xenograft tumor model[1] Doses: 10 mg/kg and 20 mg/kg Route of Administration: intraperitoneal (ip)injection, five times per week for 28 days Experimental Results: Suppressed tumor growth. Did not induce any conspicuous body weight loss . |
| References |
[1]. Drug repurposing of propafenone to discover novel anti-tumor agents by impairing homologous recombination to delay DNA damage recovery of rare disease conjunctival melanoma. Eur J Med Chem. 2023 Mar 15;250:115238. |
Solubility Data
| Solubility (In Vitro) | May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples |
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4006 mL | 12.0031 mL | 24.0061 mL | |
| 5 mM | 0.4801 mL | 2.4006 mL | 4.8012 mL | |
| 10 mM | 0.2401 mL | 1.2003 mL | 2.4006 mL |